Table 1.
Data collection statistics
| Data set | Wavelength, Å | Resolution, Å | Number of reflections,* total/unique | Completeness†
|
Rmerge, %† | |
|---|---|---|---|---|---|---|
| Overall | Anomalous | |||||
| Native1 | 1.05 | 2.01 | 249,220/132,884 | 97.3 (97.1) | — | 5.1 (38) |
| NaBr1 (peak) | 0.91780 | 2.30 | 340,768/178,767 | 99.0 (99.5) | 96.7 (97.3) | 6.5 (40) |
| NaBr2 (edge) | 0.91970 | 2.47 | 276,358/144,687 | 98.8 (99.3) | 96.7 (97.1) | 4.4 (17) |
| NaBr3 (remote) | 0.850 | 2.49 | 271,310/141,435 | 98.2 (99.7) | 96.1 (97.7) | 5.3 (26) |
| Native2 | 1.05 | 1.90 | 441,349/155,867 | 96.9 (97.6) | — | 5.8 (30) |
*
For the MAD wavelength and the native datasets friedel pairs were counted as independent and identical.
†
Values in parentheses correspond to the last resolution shell of 0.1-Å width.